SCHEMBL11502

SCHEMBL11502

CC1CCC(NC(=O)CCNC(=N)N)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
EPHX1 P07099 1/20 0.41
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11981515 0.85 NPC1 (0.40) RAB9ANPC1EPHX1SMN1; SMN2KMT2A
SCHEMBL20614302 0.84 SMN1; SMN2 (0.40) RAB9ANPC1SMN1; SMN2KMT2ASMYD3
SCHEMBL20124157 0.84 SMN1; SMN2 (0.55) EPHX1SMN1; SMN2KMT2AEPHX2ALDH1A1
SCHEMBL20124072 0.84 RAB9A (0.40) RAB9ANPC1SMN1; SMN2KMT2ASMYD3
SCHEMBL18531828 0.84 EPHX1 (0.45) RAB9ANPC1EPHX1SMN1; SMN2KMT2A
SCHEMBL11445 0.80 TDP1 (0.44) RAB9ANPC1PRSS1SMN1; SMN2KMT2A
SCHEMBL15906214 0.76 SMYD3 (0.54) RAB9ANPC1EPHX1SMN1; SMN2GAA
SCHEMBL13649892 0.76 SMYD3 (0.54) RAB9ANPC1EPHX1SMN1; SMN2GAA
SCHEMBL15906221 0.74 EPHX1 (0.50) RAB9ANPC1EPHX1SMN1; SMN2GAA
Bicarbonate SCHEMBL5506472 0.74 EPHX1 (0.50) RAB9ANPC1EPHX1F2PLG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2015-10-01 US disclosed
US-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
WO-2011047320-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME LPO, MPO, CAT RAB9A 3199/4885NPC1 1007/4885EPHX1 2356/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT RAB9A 3199/4885NPC1 1007/4885EPHX1 2356/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.